5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine

C9H10ClN5S — CID 80889411

IUPAC5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine
SMILESCc1cc(Sc2nc(N)ncc2Cl)n(C)n1
InChIInChI=1S/C9H10ClN5S/c1-5-3-7(15(2)14-5)16-8-6(10)4-12-9(11)13-8/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyQOQOWMNXWNCHCY-UHFFFAOYSA-N
MW255.73 g/mol
LogP1.91
Rot. Bonds2

About 5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine

5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine (PubChem CID 80889411) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine
PubChem CID80889411
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine
SMILESCc1cc(Sc2nc(N)ncc2Cl)n(C)n1
InChIInChI=1S/C9H10ClN5S/c1-5-3-7(15(2)14-5)16-8-6(10)4-12-9(11)13-8/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyQOQOWMNXWNCHCY-UHFFFAOYSA-N
XLogP1.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 116798270
5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine
CID 80663969
6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine
CID 62409540
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80889068
8-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80889244
5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-pyrimidin-6-one
CID 114791175
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine
CID 80889243
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine
CID 66320758
3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine
CID 62409180
5-chloro-4-ethylsulfanylpyrimidin-2-amine
CID 80888466
5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884713
3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine
CID 55208915

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine (CID 80889411) is 5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine is Cc1cc(Sc2nc(N)ncc2Cl)n(C)n1.
What is the InChIKey of 5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine?
The InChIKey is QOQOWMNXWNCHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-5-3-7(15(2)14-5)16-8-6(10)4-12-9(11)13-8/h3-4H,1-2H3,(H2,11,12,13).
What are the key properties of 5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine?
5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine has a molecular weight of 255.73 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80889411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).